N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine

C54H36N2OS — CID 163880777

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine
SMILESC1=Cc2c(oc3c(-c4ccccc4)ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4cccc5sc6ccccc6c45)c23)CC1
InChIInChI=1S/C54H36N2OS/c1-2-14-36(15-3-1)40-32-33-48(53-43-20-6-10-25-49(43)57-54(40)53)55(47-24-13-27-51-52(47)44-21-7-11-26-50(44)58-51)38-30-28-35(29-31-38)37-16-12-17-39(34-37)56-45-22-8-4-18-41(45)42-19-5-9-23-46(42)56/h1-9,11-24,26-34H,10,25H2
InChIKeyPTABHZNMESOPSM-UHFFFAOYSA-N
MW760.96 g/mol
LogP15.66
Rot. Bonds6

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine (PubChem CID 163880777) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine
PubChem CID163880777
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine
SMILESC1=Cc2c(oc3c(-c4ccccc4)ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4cccc5sc6ccccc6c45)c23)CC1
InChIInChI=1S/C54H36N2OS/c1-2-14-36(15-3-1)40-32-33-48(53-43-20-6-10-25-49(43)57-54(40)53)55(47-24-13-27-51-52(47)44-21-7-11-26-50(44)58-51)38-30-28-35(29-31-38)37-16-12-17-39(34-37)56-45-22-8-4-18-41(45)42-19-5-9-23-46(42)56/h1-9,11-24,26-34H,10,25H2
InChIKeyPTABHZNMESOPSM-UHFFFAOYSA-N
XLogP15.66
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-1-yl-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 176608909
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
4-N-[4-(6,7-dihydrodibenzofuran-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 70671807
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 90372072
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939262
N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236455
N-(4-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805112

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine (CID 163880777) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine is C1=Cc2c(oc3c(-c4ccccc4)ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4cccc5sc6ccccc6c45)c23)CC1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine?
The InChIKey is PTABHZNMESOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-2-14-36(15-3-1)40-32-33-48(53-43-20-6-10-25-49(43)57-54(40)53)55(47-24-13-27-51-52(47)44-21-7-11-26-50(44)58-51)38-30-28-35(29-31-38)37-16-12-17-39(34-37)56-45-22-8-4-18-41(45)42-19-5-9-23-46(42)56/h1-9,11-24,26-34H,10,25H2.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine has a molecular weight of 760.96 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-1-yl-4-phenyl-6,7-dihydrodibenzofuran-1-amine is sourced from PubChem (CID 163880777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).